iterations/neb0_image02_iter48_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144921491272E+04 0.14492E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224737991037E+03 -0.12245E+04 -0.11473E+04 435 0.163E+02
DAV: 3 -0.363266339569E+03 -0.58800E+03 -0.58484E+03 354 0.114E+02
DAV: 4 -0.433475118042E+03 -0.70209E+02 -0.69985E+02 309 0.503E+01
DAV: 5 -0.435033298606E+03 -0.15582E+01 -0.15556E+01 318 0.767E+00 0.427E+01
DAV: 6 -0.388873651732E+03 0.46160E+02 -0.14879E+02 309 0.286E+01 0.209E+01
DAV: 7 -0.385399647354E+03 0.34740E+01 -0.13405E+01 345 0.777E+00 0.104E+01
DAV: 8 -0.383936689259E+03 0.14630E+01 -0.22105E+00 327 0.387E+00 0.442E+00
DAV: 9 -0.383384677841E+03 0.55201E+00 -0.12539E+00 336 0.213E+00 0.115E+00
DAV: 10 -0.383298200125E+03 0.86478E-01 -0.18613E-01 327 0.106E+00 0.105E+00
DAV: 11 -0.383280503771E+03 0.17696E-01 -0.15880E-01 336 0.659E-01 0.952E-01
DAV: 12 -0.383257098518E+03 0.23405E-01 -0.16072E-01 327 0.523E-01 0.732E-01
DAV: 13 -0.383247852057E+03 0.92465E-02 -0.10105E-01 336 0.658E-01 0.916E-01
DAV: 14 -0.383231723713E+03 0.16128E-01 -0.18554E-02 309 0.400E-01 0.650E-01
DAV: 15 -0.383228574976E+03 0.31487E-02 -0.25089E-02 327 0.322E-01 0.343E-01
DAV: 16 -0.383234356771E+03 -0.57818E-02 -0.11605E-02 345 0.273E-01 0.355E-01
DAV: 17 -0.383238255740E+03 -0.38990E-02 -0.11616E-02 345 0.238E-01 0.207E-01
DAV: 18 -0.383245988420E+03 -0.77327E-02 -0.23667E-03 309 0.169E-01 0.241E-01
DAV: 19 -0.383255823229E+03 -0.98348E-02 -0.30253E-03 291 0.187E-01 0.132E-01
DAV: 20 -0.383264010346E+03 -0.81871E-02 -0.18305E-03 327 0.116E-01 0.628E-02
DAV: 21 -0.383270719108E+03 -0.67088E-02 -0.66485E-04 372 0.698E-02 0.833E-02
DAV: 22 -0.383275459832E+03 -0.47407E-02 -0.30798E-04 363 0.513E-02 0.484E-02
DAV: 23 -0.383277737980E+03 -0.22781E-02 -0.89277E-05 309 0.254E-02 0.622E-02
DAV: 24 -0.383280633624E+03 -0.28956E-02 -0.15966E-04 291 0.290E-02 0.197E-02
DAV: 25 -0.383282445404E+03 -0.18118E-02 -0.94047E-05 309 0.200E-02 0.122E-02
DAV: 26 -0.383283120899E+03 -0.67549E-03 -0.36047E-05 291 0.144E-02 0.351E-02
DAV: 27 -0.383283574129E+03 -0.45323E-03 -0.23746E-05 237 0.128E-02 0.768E-03
DAV: 28 -0.383283787259E+03 -0.21313E-03 -0.12044E-05 246 0.791E-03 0.125E-02
DAV: 29 -0.383283951387E+03 -0.16413E-03 -0.67811E-06 201 0.611E-03 0.815E-03
DAV: 30 -0.383283984244E+03 -0.32857E-04 -0.27056E-06 237 0.390E-03 0.493E-03
DAV: 31 -0.383284017753E+03 -0.33509E-04 -0.16434E-06 192 0.320E-03 0.207E-03
DAV: 32 -0.383284060553E+03 -0.42799E-04 -0.17682E-06 210 0.319E-03 0.269E-03
DAV: 33 -0.383284074050E+03 -0.13498E-04 -0.66341E-07 228 0.177E-03 0.241E-03
DAV: 34 -0.383284083546E+03 -0.94960E-05 -0.31028E-07 201 0.130E-03
1 F= -.38328408E+03 E0= -.38330073E+03 d E =0.499297E-01